Chemical Properties of Succinic acid, hexyl 1-tert-butoxyprop-2-yl ester

InChI

InChI=1S/C17H32O5/c1-6-8-9-10-13-20-14(18)11-12-15(19)21-16(7-2)22-17(3,4)5/h16H,6-13H2,1-5H3

InChI Key

NBDJEPWZBSVRQB-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

CCCCCCOC(=O)CCC(=O)OC(CC)OC(C)(C)C

Molecular Weight¹

316.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8485		Relay (... Calculated Property
ΔfG°	-480.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1194.43	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.61	kJ/mol	Joback Calculated Property
ΔvapH°	80.98	kJ/mol	Relay (... Calculated Property
IE	9.36	eV	Relay (... Calculated Property
log10WS	-3.27		Relay (... Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	271.140	ml/mol	McGowan Calculated Property
Pc	1324.24	kPa	Joback Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		NIST
Tboil	568.59	K	Relay (... Calculated Property
Tc	729.44	K	Relay (... Calculated Property
Tfus	245.03	K	Relay (... Calculated Property
Vc	1.037	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[823.69; 911.90]	J/mol×K	[759.69; 944.40]
Cp,gas	823.69	J/mol×K	759.69	Joback Calculated Property
Cp,gas	840.79	J/mol×K	790.47	Joback Calculated Property
Cp,gas	856.91	J/mol×K	821.26	Joback Calculated Property
Cp,gas	872.07	J/mol×K	852.04	Joback Calculated Property
Cp,gas	886.28	J/mol×K	882.83	Joback Calculated Property
Cp,gas	899.55	J/mol×K	913.61	Joback Calculated Property
Cp,gas	911.90	J/mol×K	944.40	Joback Calculated Property
η	[0.0000462; 0.0009176]	Pa×s	[435.32; 759.69]
η	0.0009176	Pa×s	435.32	Joback Calculated Property
η	0.0004234	Pa×s	489.38	Joback Calculated Property
η	0.0002278	Pa×s	543.44	Joback Calculated Property
η	0.0001372	Pa×s	597.50	Joback Calculated Property
η	0.0000898	Pa×s	651.57	Joback Calculated Property
η	0.0000628	Pa×s	705.63	Joback Calculated Property
η	0.0000462	Pa×s	759.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexyl 1-tert-butoxyprop-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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